0 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.3683 CC1=CC=C2C=C(C=NC2=C1)N BBO000645 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.3683 CC1=CN=C2N=C(C=CC2=C1)C ADE000845 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.3683 CC1=NC2=NC=C(C=C2C=C1)F ADE000849 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.3683 ClC1=NC2=CC=C(C=C2C=N1)Br CDS021044 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,0,0,0,0,0|1,0,1]=2 12 B13R2.3683 NC1=CC=C2C=C(C=NC2=N1)Br CDS019239 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)Br CDS024307 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.3683 NC1=CN=C2C=C(C=CC2=C1)F CDS024308 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,0,0,0,0,0|2,0,0]=2 19 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,0,0,0,0,0|2,0,0]=2 20 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,0,0,0,0,0|1,0,1]=2 21 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,0,0,0,0,0|2,0,2]=4 22 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,0,0,0,0,0|2,0,2]=4 23 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,0,0,0,0,0|2,0,2]=4 24 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)F JRD0648 [0,0,0,0,0,0|3,0,1]=4 25 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,0,0,0,0,0|3,0,1]=4 26 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,0,0,0,0,0|2,0,1]=3 27 B13R2.3683 OC1=NC2=NC=C(C=C2C=C1)Br ADE000844 [0,0,0,0,0,0|3,0,1]=4 28 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 PH011260 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [1,0,0,0,0,0|2,0,0]=3 33 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [1,0,0,0,0,0|2,0,0]=3 36 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 IC1=CN=C2C=CC=NC2=C1 ADE000848 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 NC1=CN=C2C=CC=NC2=C1 ADE000870 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [1,0,0,0,0,0|2,0,1]=4 46 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [1,0,0,0,0,0|1,0,2]=4 47 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [1,0,0,0,0,0|1,0,1]=3 48 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [1,0,0,0,0,0|1,0,1]=3 49 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [1,0,0,0,0,0|2,0,1]=4 50 B14R2.2332 COC1=CC=C2C=C(C=NC2=C1)N BBO000640 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)Cl BBO000233 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.2332 O=CC1=CC2=CC=C(C=C2C=C1)O CDS018120 [0,1,0,0,0,0|0,0,1]=2 53 B14R2.8235 CC1=C2C=C(C=CC2=NC(=C1)Cl)Br BBO000343 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Cl)Br CDS023550 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)Cl)Br BBO000657 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)O BBO000044 [0,1,0,0,0,0|1,0,2]=4 57 B14R2.8235 CC1=CC(=O)C2=C(O1)C=CC(=C2)Cl JRD1495 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)C S356719 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.8235 CC1=CC2=C(C=C1)N=C(C=C2C)O S376191 [0,1,0,0,0,0|2,0,1]=4 60 B14R2.8235 CC1=CC2=C(C=C1)OC(=CC2=O)C S392618 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.8235 CC1=CC2=C(C=C1)OC(=O)C=C2C S907189 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)Br BBO000655 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C BBO000025 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)N)C BBO000736 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.8235 CC1=NC2=C(C=C(C=C2)Cl)C(=C1)O BBO000708 [0,1,0,0,0,0|3,0,0]=4 66 B14R2.8235 CC1=NC2=C(C=C(C=C2)F)C(=C1)Cl PH003438 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Br)Br BBO000595 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000022 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)Cl)Cl BBO000070 [0,1,0,0,0,0|3,0,0]=4 70 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Br BBO000074 [0,1,0,0,0,0|3,0,0]=4 71 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)Cl CBR01370 [0,1,0,0,0,0|3,0,0]=4 72 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)N)F BBO000077 [0,1,0,0,0,0|3,0,0]=4 73 B14R2.8235 CC1=NC2=CC=C(C=C2C(=C1)O)Br BBO000245 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.8235 NC1=CC2=C(C=C(C=C2N=C1)Cl)Cl BBO000646 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O IDF00048 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.8235 O=C1NC2=CC=C(C=C2C(=O)O1)F CDS019993 [0,1,0,0,0,0|3,0,0]=4 77 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Br BBO000197 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)Cl BBO000095 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1Cl)F BBO000132 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Br BBO000746 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)Cl BBO000064 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.8239 CC1=CC2=CC(=CC=C2N=C1N)F BBO000065 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)Br BBO000563 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000137 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.8239 CC1=CC2=CC=C(C=C2N=C1N)F BBO000546 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.8239 CC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000108 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)Cl BBO000107 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.8239 CC1=CC=C2N=C(C(=CC2=C1)C)N BBO000543 [0,1,0,0,0,0|3,0,0]=4 89 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [0,1,0,0,0,0|3,0,0]=4 90 B14R2.8239 CC1=NC2=CC(=C(C=C2C=C1)C)C BBO000059 [0,1,0,0,0,0|3,0,0]=4 91 B14R2.8239 O=C1C=CC2=C(O1)C=C(C(=C2)Cl)O IDF00014 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)I R269794 [0,1,0,0,0,0|2,0,0]=3 94 B14R2.29369 CC1=CC2=C(C=C1)C(=C(C=C2)C)N R268771 [0,1,0,0,0,0|2,0,0]=3 95 B14R2.29369 CC1=CC=C2C(=N1)C=CC(=C2N)C T319848 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.29369 ClC1=C(C2=CC=C(C=C2N=C1)Br)Cl BBO000618 [0,1,0,0,0,0|3,0,0]=4 97 B14R2.29369 FC1=CC=C2C(=C1)N=CC(=C2Br)Cl BBO000624 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.29369 FC1=CC=C2C(=C1)N=CC(=C2Cl)Cl BBO000615 [0,1,0,0,0,0|3,0,0]=4 99 B14R2.29369 OC1=C(C=NC2=CC(=CC=C12)Br)Br BBO000328 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.29369 OC1=C(C=NC2=CC(=CC=C12)Br)Cl BBO000613 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.226 O=[N+]([O-])/C=C\C1=CC(=CC=C1)O S914215 [0,0,1,0,0,0|2,0,1]=4 102 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,0,0,0,1,0|3,0,0]=4 103 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,0,0,0,1,0|3,0,0]=4 104 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,0,1,0|3,0,0]=4 105 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,0,1,0|1,0,2]=4 106 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,0,1,0|3,0,0]=4 107 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,0,1,0|3,0,0]=4 108 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,0,0,0,1,0|3,0,0]=4 109 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,0,1,0|3,0,0]=4 110 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,0,1,0|2,0,1]=4 111 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,0,0,0,1,0|3,0,0]=4 112 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,0,0,0,1,0|2,0,1]=4 113 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,0,0,0,1,0|0,1,2]=4 114 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,0,0,0,1,0|2,0,1]=4 115 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [1,0,1,0,0,0|2,0,0]=4 116 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,1,0,0,0|1,0,0]=3 117 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,1,0,0,0|1,0,0]=3 118 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [1,0,1,0,0,0|2,0,0]=4 119 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [1,0,1,0,0,0|2,0,0]=4 120 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,1,0,0,0|1,0,0]=3 121 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,1,0,0,0|1,0,0]=3 122 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [2,0,0,0,0,0|1,0,0]=3 123 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [2,0,0,0,0,0|1,0,0]=3 124 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [2,0,0,0,0,0|2,0,0]=4 125 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [2,0,0,0,0,0|2,0,0]=4 126 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [2,0,0,0,0,0|2,0,0]=4 127 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [2,0,0,0,0,0|1,0,1]=4 128 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)Br S718157 [0,1,1,0,0,0|2,0,0]=4 129 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)C S659401 [0,1,1,0,0,0|2,0,0]=4 130 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,1,1,0,0,0|1,0,1]=4 131 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,1,1,0,0,0|2,0,0]=4 132 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,1,1,0,0,0|2,0,0]=4 133 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,1,1,0,0,0|2,0,0]=4 134 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,1,1,0,0,0|2,0,0]=4 135 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,1,1,0,0,0|1,0,1]=4 136 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,1,1,0,0,0|2,0,0]=4 137 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)Cl)Cl R946540 [0,1,1,0,0,0|2,0,0]=4 138 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [0,1,1,0,0,0|1,0,1]=4 139 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Br R436674 [0,1,1,0,0,0|2,0,0]=4 140 B13R1.643 CSC1=CC(=CC=C1)/C=C/C(=O)O T285293 [0,1,1,0,0,0|1,1,0]=4 141 B13R1.893 CC1=CC(=C(C=C1)C)/C=C/C(=O)O PH011355 [0,1,1,0,0,0|2,0,0]=4 142 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)I)F L134279 [0,1,1,0,0,0|2,0,0]=4 143 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [1,1,0,0,0,0|1,0,0]=3 144 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)C PH006874 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.32 CC1=C(C=NC2=C1C=CC=C2)N R262064 [1,1,0,0,0,0|2,0,0]=4 146 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [1,1,0,0,0,0|1,1,0]=4 149 B13R2.32 ClC1=C(C2=CC=CC=C2N=C1)Br BBO000622 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.32 ClC1=C(C=NC2=C1C=CC=C2)I SYX00306 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.32 ClC1=C(C=NC2=CC=CC=C12)Br BBO000332 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [1,1,0,0,0,0|1,0,0]=3 153 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [1,1,0,0,0,0|1,0,0]=3 154 B13R2.32 NC1=C(C=NC2=C1C=CC=C2)Br BBO000629 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [1,1,0,0,0,0|1,0,0]=3 156 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [1,1,0,0,0,0|2,0,0]=4 158 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [1,1,0,0,0,0|1,0,0]=3 159 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [1,1,0,0,0,0|1,0,0]=3 160 B13R2.57 CC[N+]1=CC2=C(C=CC=C2)C=C1 S619299 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [1,1,0,0,0,0|1,0,1]=4 162 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [1,1,0,0,0,0|1,0,1]=4 163 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [1,1,0,0,0,0|2,0,0]=4 165 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [1,1,0,0,0,0|2,0,0]=4 166 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 CDS007196 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 PH019505 [1,1,0,0,0,0|2,0,0]=4 168 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [1,1,0,0,0,0|1,0,0]=3 169 B13R2.57 O=CC1=CC2=C(C=CC=N2)N=C1 ADE000863 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [1,1,0,0,0,0|1,0,0]=3 171 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [1,1,0,0,0,0|2,0,0]=4 172 B13R2.57 O=CC1=NN=C2C=CC=CC2=C1 PH017680 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [1,1,0,0,0,0|1,0,1]=4 174 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br BBO000749 [1,1,0,0,0,0|2,0,0]=4 175 B13R2.155 CC1=CN=C2C=CC(=CC2=C1)Br CDS010158 [1,1,0,0,0,0|2,0,0]=4 176 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [1,1,0,0,0,0|2,0,0]=4 178 B13R2.155 NC1=CC2=CC(=CC=C2C=N1)Br CDS020029 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.155 NC1=CC2=CC(=CC=C2N=C1)Br BBO000553 [1,1,0,0,0,0|2,0,0]=4 180 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [1,1,0,0,0,0|1,0,0]=3 181 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [1,1,0,0,0,0|1,0,1]=4 183 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2O BBO000008 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,1,0,0,0,0|2,0,0]=4 188 B13R2.162 CC1=CC=NC2=C1C=C(C=C2)Br BBO000699 [1,1,0,0,0,0|2,0,0]=4 189 B13R2.162 ClC1=CC2=C(C=CN=C2C=C1)Br BBO000279 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.162 FC1=CC=C2N=CC=C(C2=C1)Br BBO000278 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.162 NC1=CC=C2C=CNC(=O)C2=C1 CDS024382 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [1,1,0,0,0,0|2,0,0]=4 197 B13R2.162 NC1=CC=NC2=CC=C(C=C12)Br BBO000153 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.162 NC1=CC=NC2=CC=C(C=C12)F BBO000756 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.162 OC1=CC=NC2=C1C=C(C=C2)Br ANV00098 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.162 OC1=CC=NC2=CC=C(C=C12)Cl OTV000284 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.162 OC1=CC=NC2=CC=C(C=C12)F JRD0180 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [1,1,0,0,0,0|1,0,0]=3 206 B13R2.328 ClC1=CC(=CC2=CC=CN=C12)Br CDS023884 [1,1,0,0,0,0|2,0,0]=4 207 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [1,1,0,0,0,0|1,0,0]=3 208 B13R2.328 NC1=CC2=CC=CC=C2C(=N1)Br PH009726 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [1,1,0,0,0,0|2,0,0]=4 210 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [1,1,0,0,0,0|1,0,0]=3 211 B13R2.328 O=C1C=C([N+]2=C(N1)C=CC=C2)[O-] R973165 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [1,1,0,0,0,0|1,0,1]=4 213 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [1,1,0,0,0,0|1,0,0]=3 214 B13R2.369 CC1=CC2=C(C=CC=C2)C=[N+]1C S676535 [1,1,0,0,0,0|2,0,0]=4 215 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [1,1,0,0,0,0|1,0,0]=3 216 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [1,1,0,0,0,0|2,0,0]=4 218 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [1,1,0,0,0,0|1,0,0]=3 219 B13R2.5179 CC1=CC2=NC=CC(=C2C=C1)Br BBO000588 [1,1,0,0,0,0|2,0,0]=4 220 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [1,1,0,0,0,0|2,0,0]=4 221 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)O BBO000221 [1,1,0,0,0,0|2,0,0]=4 222 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.5179 FC1=CC2=NC=CC(=C2C=C1)Br BBO000589 [1,1,0,0,0,0|2,0,0]=4 226 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [1,1,0,0,0,0|2,0,0]=4 228 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,1,0,0,0,0|0,0,1]=3 229 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,1,0,0,0,0|1,0,0]=3 230 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.5179 NC1=CC=C2C(=O)NC=CC2=C1 CDS023842 [1,1,0,0,0,0|2,0,0]=4 232 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Br BBO000566 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)Cl BBO000159 [1,1,0,0,0,0|2,0,0]=4 234 B13R2.5179 NC1=CC=NC2=CC(=CC=C12)F BBO000567 [1,1,0,0,0,0|2,0,0]=4 235 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)Br BBO000232 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [1,1,0,0,0,0|2,0,0]=4 238 B13R2.43 O=CC1=CC2=CC(=CC=C2O1)Br CDS015785 [0,1,0,0,1,0|2,0,0]=4 239 B13R2.5190 CC1=CC=C2C(=O)C(=O)NC2=C1 CDS020596 [0,1,0,0,1,0|2,0,0]=4 240 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)Br CDS000133 [0,1,0,0,1,0|2,0,0]=4 241 B13R2.5190 O=C1NC2=C(C1=O)C=CC(=C2)I T281182 [0,1,0,0,1,0|2,0,0]=4 242 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)Cl CDS000344 [0,1,0,0,1,0|2,0,0]=4 243 B13R2.5190 O=C1NC2=CC(=CC=C2C1=O)F PH010436 [0,1,0,0,1,0|2,0,0]=4 244 B13R2.662 O=CC1=CNC2=C1C=CC(=C2)Cl CDS022285 [0,1,0,0,1,0|2,0,0]=4 245 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O CDS000148 [0,1,0,0,1,0|2,0,0]=4 246 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O R464295 [0,1,0,0,1,0|2,0,0]=4 247 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)Cl PH011762 [0,1,0,0,1,0|2,0,0]=4 248 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)O PH004941 [0,1,0,0,1,0|1,0,1]=4 249 B15R2.1754 C(=O)C1=CC2=CC=C(C=C2N=C1Cl)Br BBO000021 [0,2,0,0,0,0|2,0,0]=4 250 B15R2.1754 O=CC1=CC2=CC=C(C=C2N=C1Cl)Cl OTV000018 [0,2,0,0,0,0|2,0,0]=4 251 B15R2.1754 O=CC1=CC2=CC=C(C=C2N=C1Cl)F BBO000138 [0,2,0,0,0,0|2,0,0]=4 252 B15R2.1754 O=CC1=CC2=CC=C(C=C2N=C1O)Cl BBO000253 [0,2,0,0,0,0|2,0,0]=4 253 B15R2.2713 O=CC1=NC2=CC=C(C=C2C(=C1)Cl)Br BBO000558 [0,2,0,0,0,0|2,0,0]=4 254 B15R2.4778 COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br S323039 [0,2,0,0,0,0|1,0,1]=4 255 B15R2.4778 O=CC1=COC2=C(C1=O)C=CC(=C2)Cl IDF00029 [0,2,0,0,0,0|2,0,0]=4 256 B15R2.7180 CC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br T303321 [0,2,0,0,0,0|1,0,0]=3 257 B15R2.7180 CC1=CC=C2C=C(C=CC2=N1)[N+](=O)[O-] T326771 [0,2,0,0,0,0|2,0,0]=4 258 B15R2.7180 O=C(Cl)C1=CC2=CC=C(N=C2C=C1)Cl PH015895 [0,2,0,0,0,0|2,0,0]=4 259 B15R2.7180 O=C(O)C1=CC2=CC=C(C=C2N=C1)F BBO000577 [0,2,0,0,0,0|2,0,0]=4 260 B15R2.7180 O=C(O)C1=CC=C2C=C(C=CC2=C1)Br CDS004635 [0,2,0,0,0,0|1,0,0]=3 261 B15R2.7180 O=C(O)C1=CN=C2C=C(C=CC2=C1)Br BBO000695 [0,2,0,0,0,0|2,0,0]=4 262 B15R2.7180 O=C(O)C1=CN=C2C=C(C=CC2=C1)Br CDS007316 [0,2,0,0,0,0|2,0,0]=4 263 B15R2.7180 O=C(O)C1=CN=C2C=C(C=CC2=C1)Cl BBO000765 [0,2,0,0,0,0|2,0,0]=4 264 B15R2.7180 O=C(O)C1=CN=C2C=C(C=CC2=C1)Cl CDS019629 [0,2,0,0,0,0|2,0,0]=4 265 B15R2.7180 O=C1C=CC2=CC(=CC=C2O1)C(=O)O CDS022225 [0,2,0,0,0,0|1,0,0]=3 266 B15R2.7180 O=[N+]([O-])C1=CC2=C(C=C1)C=C(C=C2)I R269778 [0,2,0,0,0,0|1,0,0]=3 267 B15R2.7180 OB(O)C1=CC2=CC=C(C=C2C=C1)O CDS015293 [0,2,0,0,0,0|0,0,2]=4 268 B15R2.21329 CCC1=CC=C2OC(=O)C=C(C2=C1)O JRD1108 [0,2,0,0,0,0|2,0,0]=4 269 B15R2.59732 O=C1C=C(C2=C(O1)C(=CC(=C2)Br)Cl)O IDF00091 [0,2,0,0,0,0|2,0,0]=4 270 B15R2.59732 O=C1C=C(C2=C(O1)C(=CC(=C2)Cl)Br)O IDF00092 [0,2,0,0,0,0|2,0,0]=4 271 B15R2.59732 O=C1C=C(C2=CC(=CC(=C2O1)Cl)Cl)O IDF00037 [0,2,0,0,0,0|2,0,0]=4 272 B15R2.59733 CC1=C(C=C2C(=CC(=O)OC2=C1)O)C IDF00028 [0,2,0,0,0,0|2,0,0]=4 273 B15R2.59733 CC1=C(C=C2C(=CC(=O)OC2=C1)O)Cl JRD1107 [0,2,0,0,0,0|2,0,0]=4 274 B15R2.63814 CC1=CC2=C(C=C1)N(C(=O)C=C2C)C PH009202 [0,2,0,0,0,0|2,0,0]=4 275 B15R2.89950 CC1=CC2=C(C=C1)OC(=O)C=C2CCl S592218 [0,2,0,0,0,0|2,0,0]=4 276 B15R2.63924 OC1=C(C=CC2=C1C=CC(=C2O)Br)Br S348775 [0,2,0,0,0,0|2,0,0]=4 277 B13R2.342 BrC1=CC=CC2=C1C=CC=C2Br S671576 [0,0,1,1,0,0|2,0,0]=4 278 B13R2.342 NC1=CC=CC2=C(C=CC=C12)Br CDS014028 [0,0,1,1,0,0|2,0,0]=4 279 B13R2.342 NC1=CC=CC2=C1C=CC=C2O S706795 [0,0,1,1,0,0|1,0,1]=4 280 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,0,1,0|2,0,0]=4 281 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,0,1,0|1,0,1]=4 282 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,0,1,0|2,0,0]=4 283 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,0,1,0|1,1,0]=4 284 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [1,0,0,0,1,0|2,0,0]=4 285 B11R2.60 O=C1C=CC2C1C=CC2=O L160814 [0,0,0,0,2,0|0,0,2]=4 286 B11R2.60 [C@H]12C=CC(=O)[C@H]1C=CC2=O T244295 [0,0,0,0,2,0|0,0,2]=4 287 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [1,0,0,0,0,1|0,0,1]=3 288 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [1,0,0,0,0,1|0,0,0]=2